2-(Methoxymethyl)morpholine--hydrogen chloride (1/1)

CAS Number: 144053-99-6
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COCC1OCCNC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C6H13NO2
Molecular Weight
131.174
Drug-likeness
1.2005
CAS
144053-99-6
InChI key
NBPHWKGEMABLPV-FYZOBXCZSA-N
SMILES
COCC1OCCNC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 144053-99-6
Molecule Name 2-(Methoxymethyl)morpholine--hydrogen chloride (1/1)
Molecular Formula HCl.C6H13NO2
SMILES COCC1OCCNC1.Cl
InChI InChI=1S/C6H13NO2.ClH/c1-8-5-6-4-7-2-3-9-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
InChI Key NBPHWKGEMABLPV-FYZOBXCZSA-N
CanonicalSyTyLFy 465fa3836ba3c57e
TotalMolweight 167.635
Molecular Weight 131.174
MonoisotopicMass 131.094629
CLogP -0.5936
CLogS -0.235
H Acceptors 3
H Donors 1
TotalSurfaceArea 111.26
Relative PSA 0.28276
PolarSurfaceArea 30.49
Drug-likeness 1.2005
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.77778
Molecula Flexibility 0.49536
Molecular Complexity 0.62123
Fragments 2
Non HAtoms 9
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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